Theoretical and Computational Chemistry

ABOUT

Our work focuses on development and application of electronic structure methods to the study of both current (fossil-fuel based) and future (renewables based) energy systems. In particular we are interested in exploring mechanisms in both heterogeneous catalysis and photoactive materials that exploit multiple electronic states.

We are looking for graduates and undergraduates interested in joining our team. If you want to engage in cutting-edge research supported by excellent infrastructure, please get in contact via the contacts page.

Latest News

- November 21st 2018Lee publishes paper on global searches of SCF solution space Lee published a paper in Journal of Chemical Physics exploring how multiple electronic struture solutions can be identified for independent particle models (link).